[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile
Chemical Structure Depiction of
[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile
[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile
Compound characteristics
| Compound ID: | 3259-0070 |
| Compound Name: | [(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile |
| Molecular Weight: | 373.37 |
| Molecular Formula: | C20 H15 N5 O3 |
| Smiles: | CC1C(C(C(C#N)C#N)c2ccccc2[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2412 |
| logD: | -5.6805 |
| logSw: | -2.5501 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.78 |
| InChI Key: | YKWGWTFUGHORDX-UHFFFAOYSA-N |